trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine

C11H24N2 — CID 163429944

IUPACtrans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine
SMILESCNCCCCC[C@@H]1C[C@@H]1N(C)C
InChIInChI=1S/C11H24N2/c1-12-8-6-4-5-7-10-9-11(10)13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyAPPSXERDGKLGPA-MNOVXSKESA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds7

About trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine

trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine (PubChem CID 163429944) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine
PubChem CID163429944
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nametrans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine
SMILESCNCCCCC[C@@H]1C[C@@H]1N(C)C
InChIInChI=1S/C11H24N2/c1-12-8-6-4-5-7-10-9-11(10)13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m1/s1
InChIKeyAPPSXERDGKLGPA-MNOVXSKESA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-[2-[6-(methylamino)hexyl]-4,5-dioctylcyclohexyl]hexan-1-amine
CID 70916013
5-(2-butan-2-ylcyclopropyl)-N-methylpentan-1-amine
CID 155441990
N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine
CID 67951251
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
N-methyl-5-(4-methylcyclohexyl)pentan-1-amine
CID 91473840
N-methyl-3-(3-methylcyclobutyl)propan-1-amine
CID 119055096
N-methyl-5-[(3S)-3-propylcyclohexyl]pentan-1-amine
CID 156519662
3-(3-ethylcyclobutyl)-N-methylpropan-1-amine
CID 169125304
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine (CID 163429944) is trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine is CNCCCCC[C@@H]1C[C@@H]1N(C)C.
What is the InChIKey of trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine?
The InChIKey is APPSXERDGKLGPA-MNOVXSKESA-N. The full InChI is InChI=1S/C11H24N2/c1-12-8-6-4-5-7-10-9-11(10)13(2)3/h10-12H,4-9H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine?
trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N,N-dimethyl-2-[5-(methylamino)pentyl]cyclopropan-1-amine is sourced from PubChem (CID 163429944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).